8W79
Fe-O nanocluster of form-III in the 4-fold channel of Ureaplasma diversum ferritin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.55 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 180.406, 180.406, 180.406 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.825 - 2.697 |
R-factor | 0.199 |
Rwork | 0.193 |
R-free | 0.25540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.948 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
High resolution limit [Å] | 2.697 | 7.320 | 2.700 |
Rmerge | 0.301 | 0.090 | 2.588 |
Rmeas | 0.303 | 0.091 | 2.606 |
Rpim | 0.036 | 0.012 | 0.300 |
Number of reflections | 13119 | 447 | 360 |
<I/σ(I)> | 2.2 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 72 | 56.3 | 75 |
CC(1/2) | 0.990 | 0.996 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | Bicine, MgCl2 |